Mass2Motif: motif_48

Return to experiment Rhamnaceae_plant_extracts_KyoBin_200Motifs_MS1_peaktable

Mass2Motif Annotation

The following are the full annotation and the short annotation (used for network visualisation) assigned to this Mass2Motif.

Annotation: Cyclopeptide alkaloids

Short Annotation: Cyclopeptide alkaloids

Mass2Motif Details

The following table shows the fragment and loss features that are explained by this Mass2Motifs and their corresponding probabilities. After thresholding to save the model, the total probability left in this motif is 0.9431909876358247. The column MAGMa Substructure Annotation shows substructures and the counts of MAGMa annotations for documents linked above threshold to this motif in this experiment. Hovering over each MAGMa substructure shows a plot of the substructure.

Feature Probability MAGMA Substructure Annotation
fragment_247.1425 0.202
fragment_134.0625 0.106
fragment_233.0425 0.081
fragment_353.1025 0.035
fragment_248.1475 0.034
fragment_133.0525 0.027
fragment_275.0525 0.026
fragment_342.1475 0.022
fragment_263.0525 0.020
loss_59.0225 0.019
fragment_578.2475 0.019
fragment_273.1225 0.018
fragment_191.0325 0.016
fragment_160.0375 0.014
fragment_247.0625 0.011
loss_191.1675 0.011
loss_191.1625 0.011
fragment_383.1125 0.010
fragment_263.0575 0.010
fragment_230.1175 0.008
fragment_311.0925 0.007
fragment_342.1375 0.007
fragment_194.1175 0.007
fragment_248.1525 0.007
fragment_305.0625 0.007
fragment_207.1125 0.007
fragment_209.0475 0.006
fragment_579.2525 0.006
loss_58.0175 0.006
fragment_365.1075 0.006
fragment_274.0475 0.006
fragment_247.0575 0.006
fragment_221.1275 0.005
fragment_139.0875 0.005
fragment_181.0975 0.005
fragment_277.0725 0.005
fragment_234.0475 0.005
fragment_239.1775 0.004
fragment_343.1475 0.004
fragment_160.0425 0.004
loss_157.1825 0.004
fragment_342.1425 0.004
fragment_323.0925 0.004
loss_191.1725 0.004
loss_191.1775 0.004
fragment_358.2075 0.004
fragment_191.0375 0.004
fragment_216.0525 0.003
fragment_187.0475 0.003
loss_175.1025 0.003
fragment_146.0575 0.003
fragment_135.0675 0.003
fragment_354.0975 0.003
fragment_219.0625 0.003
fragment_342.1725 0.003
fragment_223.1475 0.003
fragment_273.1275 0.002
fragment_356.1975 0.002
fragment_256.2025 0.002
fragment_135.0625 0.002
fragment_245.1275 0.002
fragment_395.0975 0.002
fragment_245.1325 0.002
fragment_153.0675 0.002
fragment_146.0625 0.002
fragment_274.1325 0.002
fragment_296.1125 0.002
loss_192.1375 0.002
loss_190.1625 0.002
loss_190.1675 0.002
loss_132.0575 0.002
fragment_157.1325 0.002
fragment_200.0575 0.002
fragment_133.0475 0.002
fragment_205.0475 0.002
fragment_143.1175 0.001
fragment_240.1025 0.001
fragment_219.0575 0.001
fragment_455.1225 0.001
loss_182.0525 0.001
fragment_437.1125 0.001
fragment_385.2075 0.001
fragment_141.0175 0.001
fragment_223.1425 0.001
fragment_354.1075 0.001
fragment_304.0575 0.001
fragment_139.0825 0.001
fragment_308.2275 0.001
fragment_329.1425 0.001
fragment_317.0625 0.001
fragment_343.1875 0.001
fragment_529.7525 0.001
loss_23.5325 0.001
fragment_205.0525 0.001
fragment_358.2125 0.001
fragment_273.1175 0.001
fragment_203.0375 0.001
fragment_119.0475 0.001
fragment_185.0525 0.001
fragment_118.0675 0.001
fragment_246.0525 0.001
fragment_342.1875 0.001
fragment_369.1475 0.001
fragment_455.1375 0.001
loss_182.0375 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 19 100 100 0
Organooxygen compound 19 100 89.1 10.9
Benzenoid 10 52.6 18.5 34.2
Aromatic heteropolycyclic compound 8 42.1 11.7 30.4
Organic nitrogen compound 7 36.8 30.5 6.4
Organonitrogen compound 7 36.8 29.8 7.0
Organopnictogen compound 3 15.8 23.7 7.9
Carbonyl group 3 15.8 18.7 3.0
Organoheterocyclic compound 2 10.5 16.5 5.9
Oxacycle 2 10.5 13.9 3.3
Azacycle 2 10.5 6.9 3.7
Alcohol 1 5.3 14.3 9.0
Oxane 1 5.3 3.4 1.9
Secondary alcohol 1 5.3 7.1 1.8
O-glycosyl compound 1 5.3 2.7 2.6
Polyol 1 5.3 1.8 3.5
Acetal 1 5.3 3.6 1.6

Counts of Mass2Motif Features

Two bar plots will appear below this message. The first shows the proportion of the total intensity of these features explained by this Mass2Motif. Red bars show the total intensity (across the whole dataset), blue bars show the proportion explained by the selected Mass2Motif. The second shows the number of times each feature in this Mass2Motif appears in the documents associated with this Mass2Motif.

Fragmentation Spectra Explained by Mass2Motif

The following table lists all fragmentation spectra that are explained by this Mass2Motif at the threshold specified in the experiment option.

Fragmentation spectraPrecursor MassParent massAnnotationProbabilityOverlap Score
533.3131476_322.54536 533.3131 533.3131 None 1.000 0.459
533.3099997_336.9200885 533.3100 533.3100 None 1.000 0.459
582.3646573_339.0862 582.3647 582.3647 None 1.000 0.404
499.3282899_293.3168571 499.3283 499.3283 None 1.000 0.410
519.296398_348.2397458 519.2964 519.2964 None 1.000 0.398
637.269043_914.724 637.2690 637.2690 None 1.000 0.049
533.3106384_355.926 533.3106 533.3106 None 1.000 0.401
485.3129272_314.0268 485.3129 485.3129 None 1.000 0.405
535.3047095_276.3252947 535.3047 535.3047 None 1.000 0.237
861.2422952_298.1240696 861.2423 861.2423 None 0.983 0.151
699.1916194_363.0907424 699.1916 699.1916 None 0.969 0.161
595.1626629_212.7862029 595.1627 595.1627 None 0.969 0.147
637.1772489_150.7642114 637.1772 637.1772 None 0.964 0.240
553.2812448_288.9985258 553.2812 553.2812 None 0.946 0.359
488.2557325_587.5929081 488.2557 488.2557 None 0.896 0.403
637.177124_89.712 637.1771 637.1771 None 0.781 0.104
488.2537292_612.6558 488.2537 488.2537 None 0.732 0.325
787.2286732_178.8723043 787.2287 787.2287 None 0.109 0.108
473.1299698_95.43089577 473.1300 473.1300 None 0.071 0.097

Fragmentation Spectra Plot

The fragmentation spectra of molecules explained by this Mass2Motif are plotted below. Features (fragments and losses) explained by this Mass2Motif will be coloured red, while parent ion is coloured in blue. Click Next and Previous to cycle through the fragmentation spectra.

Result goes here: